60159362 -OEChem-03282415552D 51 53 0 1 0 0 0 0 0999 V2000 9.3454 -0.8727 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6428 4.6218 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3454 -0.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3454 -0.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7473 1.6273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2114 -5.3727 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.4793 -5.3727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 4.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 2.9456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3454 0.1273 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.6133 3.1273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8338 3.2206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3454 -4.8727 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.4793 1.6273 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3454 2.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4793 0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2114 1.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2114 0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6133 2.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3454 -1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4793 -2.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2114 -2.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7473 3.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4793 -3.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2114 -3.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3454 -3.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 3.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6646 4.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 3.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 4.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4793 2.2473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7439 2.6023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9468 2.6022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8688 0.7350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2673 0.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8220 1.5196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4234 2.2099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4234 0.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8220 0.7350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1502 3.4373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9424 -2.0627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7483 -2.0627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9424 -3.6827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7483 -3.6827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4124 5.3961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0305 4.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7587 3.9677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 5.7371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 5.8743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 5.0083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 10 1 0 0 0 0 1 20 1 0 0 0 0 2 23 1 0 0 0 0 2 28 1 0 0 0 0 5 19 2 0 0 0 0 6 13 1 0 0 0 0 7 13 2 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 29 2 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 23 1 0 0 0 0 11 41 1 0 0 0 0 12 23 2 0 0 0 0 12 27 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 42 1 0 0 0 0 22 25 2 0 0 0 0 22 43 1 0 0 0 0 24 26 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 46 1 0 0 0 0 30 31 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 M CHG 2 6 -1 13 1 M END > 60159362 > 1 > 775 > 10 > 1 > 7 > AAADceB7uABgAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAAABwAAAHgQUQAAADQjl1gaz2ZLYVAqtASXyf3TC8LlnCjkpiB2YbMqKJDqg+bmHIABokQKY6KcYAQAMAAQAAAAAAAAACAAAAAAAAAAAAAAAAA== > ethyl 2-[[1-(4-nitrophenyl)sulfonylpiperidine-3-carbonyl]amino]thiazole-4-carboxylate > 2-[[[1-(4-nitrophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-4-thiazolecarboxylic acid ethyl ester > ethyl 2-[[1-(4-nitrophenyl)sulfonylpiperidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate > ethyl 2-[[1-(4-nitrophenyl)sulfonylpiperidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate > ethyl 2-[[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]carbonylamino]-1,3-thiazole-4-carboxylate > 2-[(1-nosylnipecotoyl)amino]thiazole-4-carboxylic acid ethyl ester > InChI=1S/C18H20N4O7S2/c1-2-29-17(24)15-11-30-18(19-15)20-16(23)12-4-3-9-21(10-12)31(27,28)14-7-5-13(6-8-14)22(25)26/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,20,23) > LJJDQWXNYYKMED-UHFFFAOYSA-N > 2.1 > 468.07734134 > C18H20N4O7S2 > 468.5 > CCOC(=O)C1=CSC(=N1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] > CCOC(=O)C1=CSC(=N1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] > 188 > 468.07734134 > 0 > 31 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 23 8 12 27 8 14 19 3 2 23 8 2 28 8 20 21 8 20 22 8 21 24 8 22 25 8 24 26 8 25 26 8 27 28 8 $$$$